SCHEMBL16776157

SCHEMBL16776157

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncc2F)CCCCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 12/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ WNT1 P04628 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ PRMT3 O60678 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ CA9 Q16790 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16775881 0.90 TRPV1 (0.43) ROCK2TRPV1
SCHEMBL16775848 0.89 CPT2 (0.37) ROCK2TRPV1CA9
SCHEMBL16775945 0.88 PRKCI (0.39) ROCK2TRPV1ABL1BCR
SCHEMBL16775830 0.88 CNR2 (0.37) ROCK2TRPV1
SCHEMBL16775822 0.87 TRPV1 (0.37) ROCK2TRPV1CA9
SCHEMBL16776144 0.86 KMT2A (0.44) RPS6KA2CA9
SCHEMBL16776146 0.85 HTR2C (0.48) ABL1BCR
SCHEMBL16775869 0.85 TRPV1 (0.42) TRPV1ABL1BCR
SCHEMBL20633013 0.84 HTR2C (0.38) ROCK2TRPV1PRMT3CA9
SCHEMBL16775840 0.84 PIKFYVE (0.37) TRPV1CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ROCK2 3343/4885TRPV1 3670/4885WNT1 3363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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